2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine

C14H15ClFNO — CID 102867290

IUPAC2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C14H15ClFNO/c1-2-10-6-7-13(18-10)12(17)8-9-4-3-5-11(15)14(9)16/h3-7,12H,2,8,17H2,1H3
InChIKeyIXOJBYANQWHASA-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine (PubChem CID 102867290) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
PubChem CID102867290
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C14H15ClFNO/c1-2-10-6-7-13(18-10)12(17)8-9-4-3-5-11(15)14(9)16/h3-7,12H,2,8,17H2,1H3
InChIKeyIXOJBYANQWHASA-UHFFFAOYSA-N
XLogP3.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 115844529
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine (CID 102867290) is 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine is CCc1ccc(C(N)Cc2cccc(Cl)c2F)o1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is IXOJBYANQWHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-10-6-7-13(18-10)12(17)8-9-4-3-5-11(15)14(9)16/h3-7,12H,2,8,17H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 267.73 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 102867290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).